SCHEMBL17585366

SCHEMBL17585366

CC(C)(NC(=O)c1ccccc1)c1cccc(C(C)(C)NC(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KCNK9 Q9NPC2 2/20 0.51
GAA P10253 1/20 0.51
IMPDH2 P12268 1/20 0.50
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX1 P07099 1/20 0.47
P2RX1 P51575 1/20 0.46
KCNK3 O14649 2/20 0.46
TACR3 P29371 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ROCK2 O75116 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3039120 0.91 POLB (0.58) POLBKCNK9IMPDH2CYP2C9CYP3A4
SCHEMBL31164658 0.88 L3MBTL1 (0.62) POLBL3MBTL1
SCHEMBL12227206 0.82 MAPT (0.66) POLBSMN1; SMN2L3MBTL1
SCHEMBL3043849 0.82 NPC1 (0.56) KCNK9GAAIMPDH2SMN1; SMN2KCNK3
SCHEMBL3046746 0.82 VNN1 (0.57) KCNK9IMPDH2KCNK3CYP2C19
SCHEMBL3836272 0.82 RAB9A (0.57) POLBKCNK9IMPDH2L3MBTL1ROCK2
SCHEMBL10915368 0.81 GAA (0.57) GAASMN1; SMN2L3MBTL1
SCHEMBL3838597 0.81 IMPDH2 (0.52) POLBIMPDH2SMN1; SMN2TACR3ROCK2
SCHEMBL94229 0.81 IMPDH2 (0.52) POLBKCNK9IMPDH2CYP2C9SMN1; SMN2
SCHEMBL3043303 0.80 HDAC8 (0.61) POLBIMPDH2CYP2C9SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074817-A1 Halogen Resistant Amides, Polyamides, and Membranes Made From the Same THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE INTERIOR (US) 2016-03-17 US disclosed